UCSF

ZINC00154459

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 3',4'-Dimethoxyacetophenone 3',4'-Dimethoxyacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1131-62-0 , [1131-62-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 4.18 -10.74 0 3 0 36 180.203 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 112 KeyOrganics
BP 161 / 9.8 TCI
BP [°C] 286 - 288 Acros Organics
Boiling_Point 286-288? Alfa-Aesar
Boiling_Point 286-288° Alfa-Aesar
Melting_Point 47-51? Alfa-Aesar
Melting_Point 47-51° Alfa-Aesar
Mp [°C] 48 - 52 Acros Organics
MP 49 TCI
MP 49 - 51 Enamine Building Blocks
MP 49...51 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H319: Causes serious eye irritation Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling; P270: Do not eat, drink or smoke when using this product; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiou Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36: Irritating to eyes. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )